The present invention relates to a computer simulation method for a macromolecular material and filler, more particularly to a method for computing the thickness of an interface layer formed between the macromolecular material and the filler.
In recent years, in order to develop or design macromolecular materials such as rubber compounds, there have been proposed computer simulation methods in which various conditions such as the structure of the macromolecular material and the blending ratio of filler can be incorporated into the simulation calculation, and thereby it is possible to obtain a material property without experimentally actually producing the macromolecular material with the filler.
In the meantime, when filler is blended into a macromolecular material, as shown in FIG. 10, around the filler particles or aggregation of the filler, there is formed an interface layer (in some cases, called glass layer) having different dynamic properties than the macromolecular material itself so called bulk.
In a conventional simulation method, the thickness of such interface layer is obtained through an experimental measurement using the macromolecular material and the filler and the obtained thickness value is input in a computer before computing material properties of the macromolecular material with the filler. Accordingly, much time and cost are required for the experimental measurement.